Ketcher 08271815592D 1   1.00000     0.00000     0

 15 14  0     0  0            999 V2000
    2.4537    1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4537    0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3197   -0.3333    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217    0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1444   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103    0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764   -0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7424    0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7424    1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6085   -0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -1.8333    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217    1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1444   -1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  2  1  0     0  0
  4  2  1  0     0  0
  4 12  1  1     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  8  7  1  0     0  0
  6  7  1  0     0  0
  9  8  1  0     0  0
 10  9  2  0     0  0
 11  9  1  0     0  0
 12 13  1  0     0  0
  5 14  1  0     0  0
  6 15  1  0     0  0
M  CHG  1  10   1
M  END
> <ID>
CHEBI:141829

> <NAME>
3,4-dihydroxy-L-argininium residue

> <DEFINITION>
An L-arginine residue that is substituted by hydroxy groups at positions 3 and 4; major microspecies at pH 7.3.

> <STAR>
2

> <SYNONYM>
3,4-dihydroxy-L-arginine residue; (2S)-3,4-dihydroxyargininium residue

> <FORMULA>
C6H13N4O3

> <MASS>
189.193

> <MONOISOTOPIC_MASS>
189.09877

> <CHARGE>
1

> <SMILES>
O=C(*)[C@@H](N*)C(C(CNC(=[NH2+])N)O)O

$$$$